5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide

C9H11BrN2O3S — CID 55210079

IUPAC5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O3S/c1-16(14,15)5-4-11-9(13)8-3-2-7(10)6-12-8/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyRZPMXIUQRDFBDN-UHFFFAOYSA-N
MW307.17 g/mol
LogP0.62
Rot. Bonds4

About 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide

5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (PubChem CID 55210079) has the molecular formula C9H11BrN2O3S and a molecular weight of 307.17 g/mol. Its IUPAC name is 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
PubChem CID55210079
Molecular FormulaC9H11BrN2O3S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O3S/c1-16(14,15)5-4-11-9(13)8-3-2-7(10)6-12-8/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyRZPMXIUQRDFBDN-UHFFFAOYSA-N
XLogP0.62
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 55152309
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55229447
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
6-amino-N-(2-methylsulfonylethyl)pyridazine-3-carboxamide
CID 62153010
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (CID 55210079) is 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is CS(=O)(=O)CCNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The InChIKey is RZPMXIUQRDFBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S/c1-16(14,15)5-4-11-9(13)8-3-2-7(10)6-12-8/h2-3,6H,4-5H2,1H3,(H,11,13).
What are the key properties of 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide has a molecular weight of 307.17 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 55210079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).